N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C24H31N3O — CID 131921884

IUPACN-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C24H31N3O/c28-23(24(14-6-2-7-15-24)27-18-8-3-9-19-27)26-22(20-10-4-1-5-11-20)21-12-16-25-17-13-21/h1,4-5,10-13,16-17,22H,2-3,6-9,14-15,18-19H2,(H,26,28)
InChIKeyFCQJGNDGWNHOAS-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.48
Rot. Bonds5

About N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131921884) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID131921884
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C24H31N3O/c28-23(24(14-6-2-7-15-24)27-18-8-3-9-19-27)26-22(20-10-4-1-5-11-20)21-12-16-25-17-13-21/h1,4-5,10-13,16-17,22H,2-3,6-9,14-15,18-19H2,(H,26,28)
InChIKeyFCQJGNDGWNHOAS-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 131921884) is N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is O=C(NC(c1ccccc1)c1ccncc1)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is FCQJGNDGWNHOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-23(24(14-6-2-7-15-24)27-18-8-3-9-19-27)26-22(20-10-4-1-5-11-20)21-12-16-25-17-13-21/h1,4-5,10-13,16-17,22H,2-3,6-9,14-15,18-19H2,(H,26,28).
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131921884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).